SCHEMBL5166151

SCHEMBL5166151

CN(C)C1CCN(Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
LTA4H P09960 1/20 0.47
KCNH2 Q12809 4/20 0.45
MCHR1 Q99705 2/20 0.45
GRM2 Q14416 1/20 0.45
S1PR5 Q9H228 1/20 0.45
CHKA P35790 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
NAAA Q02083 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
JAK2 O60674 1/20 0.43
PLA2G7 Q13093 1/20 0.42
GPR119 Q8TDV5 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5952730 0.84 HDAC1 (0.50) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL5166411 0.83 GRM2 (0.56) HDAC1HRH3LTA4HKCNH2MCHR1
SCHEMBL9609586 0.82 ABL1 (0.43) LTA4HKCNH2GRM2GPR119
SCHEMBL22243488 0.82 ABL1 (0.43) LTA4HKCNH2GRM2GPR119
SCHEMBL5165935 0.81 HDAC1 (0.63) HDAC1HRH3LTA4HKCNH2MCHR1
SCHEMBL5164995 0.80 HDAC1 (0.53) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL5165601 0.80 HDAC1 (0.56) HDAC1HRH3LTA4HGRM2BCHE
SCHEMBL9610931 0.80 ABL1 (0.43) HDAC1LTA4HKCNH2GRM2BCHE
SCHEMBL14315491 0.80 ABL1 (0.43) HDAC1LTA4HKCNH2GRM2GPR119
SCHEMBL5191116 0.79 LSS (0.52) HDAC1HRH3LTA4HGRM2JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771438-A1 1-3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011042-A1 1, 3 SUBSTITUTED CYCLOAMINO DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060014733-A1 Histamine-3 agonists and antagonists PFIZER INC 2006-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014733-A1 Histamine-3 agonists and antagonists HRH3, HRH4, HRH2 HDAC1 1532/4885HRH3 1/4885LTA4H 395/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.